SCHEMBL9681579

SCHEMBL9681579

Nc1cc(N)c2c(S(=O)(=O)O)cccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.47
FABP4 P15090 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
MAPK14 Q16539 1/20 0.43
NR4A1 P22736 1/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
TSHR P16473 1/20 0.42
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.39
TYMS P04818 1/20 0.39
MPO P05164 1/20 0.38
NT5E P21589 1/20 0.38
PLAU P00749 1/20 0.37
CASP6 P55212 3/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28065900 0.88 TTR (0.44) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL29386756 0.85 NT5E (0.56) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL30867217 0.85 NT5E (0.56) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL11429354 0.85 NT5E (0.56) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL149843 0.85 NT5E (0.56) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL2332055 0.83 NT5E (0.54) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL11429348 0.83 NT5E (0.54) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL179823 0.82 TTR (0.58) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL29360969 0.82 TTR (0.58) TTRFABP4CCNA2CDK2MAPK14
Water SCHEMBL7765550 0.80 TTR (0.56) TTRFABP4CCNA2CDK2MAPK14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5128455-A WATER-SOLUBLE FIBER-REACTIVE DYES, CONTAINING AN AMINO-SUBSTITUTED 5-TRIAZINE RING WITH A FIBER-REACTIVE GROUP OF THE VINYLSULFONE SERIES HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-07 US disclosed
EP-0271883-B1 COLOURED WATER SOLUBLE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-06 EP disclosed
EP-0374911-A1 Water-soluble, fibre-reactive dyes, methods for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-27 EP disclosed
EP-0361440-A1 Water soluble fibre-reactive dyes, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1990-04-04 EP disclosed
US-4873320-A COLORFASTNESS; FOR COTTON AND CELLULOSE FIBER MATERIALS HOECHST AKTIENGESELLSCHAFT (DE) 1989-10-10 US disclosed
EP-0271883-A2 Coloured water soluble compounds, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1988-06-22 EP disclosed
EP-0038453-A2 Process for the preparation of water soluble phthalocyanine dyestuffs BAYER AG (DE) 1981-10-28 EP disclosed
US-4268267-A PRINTING AND DYEING TEXTILES BAYER AKTIENGESELLSCHAFT (DE) 1981-05-19 US disclosed